carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)

C22H46Cl2Cr2+2 — CID 23229957

IUPACcarbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cl[Cr+2].Cl[Cr+2].[CH3-].[CH3-]
InChIInChI=1S/2C10H20.2CH3.2ClH.2Cr/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*6-10H,1-5H3;2*1H3;2*1H;;/q;;2*-1;;;2*+3/p-2
InChIKeyXFMNMZYQTLAODC-UHFFFAOYSA-L
MW485.51 g/mol
LogP8.64
Rot. Bonds

About carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)

carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane) (PubChem CID 23229957) has the molecular formula C22H46Cl2Cr2+2 and a molecular weight of 485.51 g/mol. Its IUPAC name is carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane).

Molecular Properties

Compound Namecarbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
PubChem CID23229957
Molecular FormulaC22H46Cl2Cr2+2
Molecular Weight485.51 g/mol
Exact Mass484.18
IUPAC Namecarbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cl[Cr+2].Cl[Cr+2].[CH3-].[CH3-]
InChIInChI=1S/2C10H20.2CH3.2ClH.2Cr/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*6-10H,1-5H3;2*1H3;2*1H;;/q;;2*-1;;;2*+3/p-2
InChIKeyXFMNMZYQTLAODC-UHFFFAOYSA-L
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
bis(dichlororhodium);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 74890113
(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
CID 58219597
(1S,2S,4S,5S)-1,2,4,5-tetrachloro-3,6-dimethylcyclohexane
CID 101119992
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
CID 162297187
CID 162297187
carbanide;chlororuthenium(3+);methane;1,2,3,4,5-pentamethylcyclopentane;propylazanide
CID 162272204
(1S,2R,4R,5S)-1,2,3,4,5-pentachloro-6-methylcyclohexane
CID 59887322

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)?
The IUPAC name of carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane) (CID 23229957) is carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane).
What is the SMILES notation for carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)?
The canonical SMILES for carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane) is CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cl[Cr+2].Cl[Cr+2].[CH3-].[CH3-].
What is the InChIKey of carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)?
The InChIKey is XFMNMZYQTLAODC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20.2CH3.2ClH.2Cr/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*6-10H,1-5H3;2*1H3;2*1H;;/q;;2*-1;;;2*+3/p-2.
What are the key properties of carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)?
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane) has a molecular weight of 485.51 g/mol, XLogP of 8.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane) is sourced from PubChem (CID 23229957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).